ethyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C(=CC=C3)C)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C(=CC=C3)C)OC

InChI

InChI=1S/C23H27N3O5S/c1-4-31-22(28)16-8-9-19(26-10-12-30-13-11-26)18(14-16)24-23(32)25-21(27)17-7-5-6-15(2)20(17)29-3/h5-9,14H,4,10-13H2,1-3H3,(H2,24,25,27,32)